1-[(4-bromophenyl)methoxy]benzotriazole

C13H10BrN3O — CID 2966833

IUPAC1-[(4-bromophenyl)methoxy]benzotriazole
SMILESBrc1ccc(COn2nnc3ccccc32)cc1
InChIInChI=1S/C13H10BrN3O/c14-11-7-5-10(6-8-11)9-18-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2
InChIKeyHMBVIUXUVMJJBL-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.82
Rot. Bonds3

About 1-[(4-bromophenyl)methoxy]benzotriazole

1-[(4-bromophenyl)methoxy]benzotriazole (PubChem CID 2966833) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methoxy]benzotriazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methoxy]benzotriazole
PubChem CID2966833
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name1-[(4-bromophenyl)methoxy]benzotriazole
SMILESBrc1ccc(COn2nnc3ccccc32)cc1
InChIInChI=1S/C13H10BrN3O/c14-11-7-5-10(6-8-11)9-18-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2
InChIKeyHMBVIUXUVMJJBL-UHFFFAOYSA-N
XLogP2.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)methoxy]benzotriazole
CID 682205
1-[(4-bromophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788487
(2S)-1-(benzotriazol-1-yloxy)propan-2-ol
CID 130556874
1-(propan-2-yloxymethoxy)benzotriazole
CID 121265115
1-(oxiran-2-ylmethoxy)benzotriazole
CID 10797780
4-(benzotriazol-1-yloxymethyl)-2-phenyl-1,3-oxazole
CID 32513417
methane;1-methoxybenzotriazole
CID 161160564
N,N-bis(benzotriazol-1-ylmethyl)-4-bromoaniline
CID 118530723
1-(phenylmethoxymethyl)benzotriazole
CID 3697434
6-chloro-1-[(3-chlorophenyl)methoxy]benzotriazole
CID 7696637
2-(benzotriazol-1-yloxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7668650
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methoxy]benzotriazole?
The IUPAC name of 1-[(4-bromophenyl)methoxy]benzotriazole (CID 2966833) is 1-[(4-bromophenyl)methoxy]benzotriazole.
What is the SMILES notation for 1-[(4-bromophenyl)methoxy]benzotriazole?
The canonical SMILES for 1-[(4-bromophenyl)methoxy]benzotriazole is Brc1ccc(COn2nnc3ccccc32)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methoxy]benzotriazole?
The InChIKey is HMBVIUXUVMJJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-11-7-5-10(6-8-11)9-18-17-13-4-2-1-3-12(13)15-16-17/h1-8H,9H2.
What are the key properties of 1-[(4-bromophenyl)methoxy]benzotriazole?
1-[(4-bromophenyl)methoxy]benzotriazole has a molecular weight of 304.15 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methoxy]benzotriazole is sourced from PubChem (CID 2966833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).